1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine

C12H17ClN2O2S — CID 2989467

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-14-6-8-15(9-7-14)18(16,17)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyFKRJHDXJYTXCDV-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.42
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine

1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine (PubChem CID 2989467) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine
PubChem CID2989467
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-14-6-8-15(9-7-14)18(16,17)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyFKRJHDXJYTXCDV-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine (CID 2989467) is 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine?
The InChIKey is FKRJHDXJYTXCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-14-6-8-15(9-7-14)18(16,17)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine?
1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine has a molecular weight of 288.80 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-4-methylpiperazine is sourced from PubChem (CID 2989467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).